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1-Hexadecanone, 1-cyclopentyl-

View entire compound with spectra: 1 NMR, 1 FTIR, and 3 MS (GC)

1-Hexadecanone, 1-cyclopentyl-
SpectraBase Compound ID 9EUtkcgX5L4
InChI InChI=1S/C21H40O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-21(22)20-17-15-16-18-20/h20H,2-19H2,1H3
InChIKey ZQEHAALHHNYDDJ-UHFFFAOYSA-N
Mol Weight 308.6 g/mol
Molecular Formula C21H40O
Exact Mass 308.307916 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID G9D25X0mS9m
Name 1-Hexadecanone, 1-cyclopentyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 308.307915907 u
Formula C21H40O
InChI InChI=1S/C21H40O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-21(22)20-17-15-16-18-20/h20H,2-19H2,1H3
InChIKey ZQEHAALHHNYDDJ-UHFFFAOYSA-N
Molecular Weight 308.550 g/mol
SMILES C(C(=O)C1CCCC1)CCCCCCCCCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.831533